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    Enavogliflozin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 1415472-28-4, Enavogliflozin [inn], Z5mr2y1ijj, Dwp-16001, (2s,3r,4r,5s,6r)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, (1s)-1,5-anhydro-1-c-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-d-glucitol
    Molecular Formula
    C24H27ClO6
    Molecular Weight
    446.9  g/mol
    InChI Key
    KORCWPOBTZTAFI-YVTYUBGGSA-N
    FDA UNII
    Z5MR2Y1IJJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/m1/s1
    2.1.3 InChI Key
    KORCWPOBTZTAFI-YVTYUBGGSA-N
    2.1.4 Canonical SMILES
    C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)C5C(C(C(C(O5)CO)O)O)O
    2.1.5 Isomeric SMILES
    C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Z5MR2Y1IJJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1415472-28-4

    2. Enavogliflozin [inn]

    3. Z5mr2y1ijj

    4. Dwp-16001

    5. (2s,3r,4r,5s,6r)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

    6. (1s)-1,5-anhydro-1-c-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-d-glucitol

    7. D-glucitol, 1,5-anhydro-1-c-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-, (1s)-

    8. Unii-z5mr2y1ijj

    9. Gcc5694a

    10. Chembl3703921

    11. Schembl14126099

    12. Gcc-5694a

    13. Gtpl11905

    14. Bdbm159529

    15. Dwp16001

    16. Ex-a5732

    17. Compound 14g [pmid: 34813882]

    18. Hy-109144

    19. Cs-0115960

    20. Us9034921, E172

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 446.9 g/mol
    Molecular Formula C24H27ClO6
    XLogP32.9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass446.1496163 g/mol
    Monoisotopic Mass446.1496163 g/mol
    Topological Polar Surface Area99.4 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity609
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1